Estimating Vapor Pressure Data from Gas-Liquid Chromatography Retention Times: Analysis of Multiple Reference Approaches, Review of Prior Applications, and Outlook

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F22%3A00559453" target="_blank" >RIV/61388963:_____/22:00559453 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22340/22:43924285

Výsledek na webu

<a href="https://doi.org/10.1021/acs.jced.2c00236" target="_blank" >https://doi.org/10.1021/acs.jced.2c00236</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jced.2c00236" target="_blank" >10.1021/acs.jced.2c00236</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Estimating Vapor Pressure Data from Gas-Liquid Chromatography Retention Times: Analysis of Multiple Reference Approaches, Review of Prior Applications, and Outlook

Popis výsledku v původním jazyce

Reliable methods for determining the vapor pressures of organic materials are of increasing importance as a tool for predicting the behavior and fate of chemicals that are introduced into the environment. In the present work, we analyze the method that relates the gas-liquid chromatography (GLC) retention data, namely, the retention factors (k) of selected organic compounds with their vapor pressures (p0) using multiple reference standards. Temperature-dependent k values of test chemicals and an adequate number y of reference standard chemicals having directly measured vapor pressure values at temperatures corresponding to GLC measurements are required to apply this method (GLC-RTyS). Retention data of 49 test compounds including a series of alkanes, alkanols, alkyl benzenes, phenols, some (hydro)naphthalene derivatives, and menthol determined on a low-polar dimethylpolysiloxane (HP-1) column at a temperature range from 353 K to (403 or 423) K were used for method validation. We present a first systematic analysis aimed at examining whether and to what extent the selection of experimental conditions might influence/improve the results. Furthermore, we present a review of an alternative multireference correlation gas chromatographic (CGC) method that employs significant extrapolations and is based on the use of adjusted retention time t′ instead of k in order to reveal uncertainties inherent in routine application of this method.

Název v anglickém jazyce

Estimating Vapor Pressure Data from Gas-Liquid Chromatography Retention Times: Analysis of Multiple Reference Approaches, Review of Prior Applications, and Outlook

Popis výsledku anglicky

Reliable methods for determining the vapor pressures of organic materials are of increasing importance as a tool for predicting the behavior and fate of chemicals that are introduced into the environment. In the present work, we analyze the method that relates the gas-liquid chromatography (GLC) retention data, namely, the retention factors (k) of selected organic compounds with their vapor pressures (p0) using multiple reference standards. Temperature-dependent k values of test chemicals and an adequate number y of reference standard chemicals having directly measured vapor pressure values at temperatures corresponding to GLC measurements are required to apply this method (GLC-RTyS). Retention data of 49 test compounds including a series of alkanes, alkanols, alkyl benzenes, phenols, some (hydro)naphthalene derivatives, and menthol determined on a low-polar dimethylpolysiloxane (HP-1) column at a temperature range from 353 K to (403 or 423) K were used for method validation. We present a first systematic analysis aimed at examining whether and to what extent the selection of experimental conditions might influence/improve the results. Furthermore, we present a review of an alternative multireference correlation gas chromatographic (CGC) method that employs significant extrapolations and is based on the use of adjusted retention time t′ instead of k in order to reveal uncertainties inherent in routine application of this method.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA22-07164S" target="_blank" >GA22-07164S: Racionální návrh systémů pro dodávání léčiv založených na laditelných biodegradabilních polymerech: iterativní in silico a experimentální postup</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical and Engineering Data

ISSN

0021-9568

e-ISSN

1520-5134

Svazek periodika

67

Číslo periodika v rámci svazku

9

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

27

Strana od-do

2017-2043

Kód UT WoS článku

000853688600001

EID výsledku v databázi Scopus

2-s2.0-85133846584